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BenzenaMine, 3-bromo-N-Methyl-2-nitro-, also known as 3-Bromo-N-Methyl-2-nitroaniline, is a chemical compound with the molecular formula C7H7BrN2O2. It is a derivative of aniline, featuring a bromine and a nitro group attached to the benzene ring. BenzenaMine, 3-broMo-N-Methyl-2-nitrois commonly used in organic synthesis and pharmaceutical research, and has potential applications in the development of new drugs, agrochemicals, and dyes. However, due to its potentially harmful effects on human health and the environment, it is important to handle this compound with caution.

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  • 1150617-53-0 Structure
  • Basic information

    1. Product Name: BenzenaMine, 3-broMo-N-Methyl-2-nitro-
    2. Synonyms: BenzenaMine, 3-broMo-N-Methyl-2-nitro-;3-broMo-N-Methyl-2-nitroaniline;3-BroMo-n-Methyl-2-nitrobenzenaMine;2-Bromo-6-(methylamino)nitrobenzene, N-(3-Bromo-2-nitrophenyl)methylamine;(3-Bromo-2-nitro-phenyl)-methyl-amine
    3. CAS NO:1150617-53-0
    4. Molecular Formula: C7H7BrN2O2
    5. Molecular Weight: 231.04668
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1150617-53-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 298.115 °C at 760 mmHg
    3. Flash Point: 134.096 °C
    4. Appearance: /
    5. Density: 1.688 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: BenzenaMine, 3-broMo-N-Methyl-2-nitro-(CAS DataBase Reference)
    10. NIST Chemistry Reference: BenzenaMine, 3-broMo-N-Methyl-2-nitro-(1150617-53-0)
    11. EPA Substance Registry System: BenzenaMine, 3-broMo-N-Methyl-2-nitro-(1150617-53-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1150617-53-0(Hazardous Substances Data)

1150617-53-0 Usage

Uses

Used in Pharmaceutical Research:
BenzenaMine, 3-bromo-N-Methyl-2-nitrois used as an intermediate in the synthesis of various pharmaceutical compounds. Its unique chemical structure allows for the development of new drugs with specific therapeutic properties.
Used in Agrochemical Development:
BenzenaMine, 3-broMo-N-Methyl-2-nitrois also utilized in the development of agrochemicals, such as pesticides and herbicides. Its chemical properties enable the creation of effective agents for controlling pests and weeds in agricultural settings.
Used in Dye Production:
BenzenaMine, 3-bromo-N-Methyl-2-nitrois used as a key component in the production of dyes. Its ability to impart color makes it a valuable ingredient in the formulation of various dye products for different industries.
Used in Organic Synthesis:
In the field of organic synthesis, BenzenaMine, 3-bromo-N-Methyl-2-nitroserves as a versatile building block for the creation of a wide range of organic compounds. Its reactivity and functional groups make it suitable for various chemical reactions, leading to the formation of new molecules with diverse applications.

Check Digit Verification of cas no

The CAS Registry Mumber 1150617-53-0 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,1,5,0,6,1 and 7 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 1150617-53:
(9*1)+(8*1)+(7*5)+(6*0)+(5*6)+(4*1)+(3*7)+(2*5)+(1*3)=120
120 % 10 = 0
So 1150617-53-0 is a valid CAS Registry Number.

1150617-53-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Bromo-N-methyl-2-nitroaniline

1.2 Other means of identification

Product number -
Other names 3-bromanyl-N-methyl-2-nitro-aniline

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1150617-53-0 SDS

1150617-53-0Relevant articles and documents

Fragment Based Optimization of Metabotropic Glutamate Receptor 2 (mGluR2) Positive Allosteric Modulators in the Absence of Structural Information

Szabó, Gy?rgy,Túrós, Gy?rgy I.,Kolok, Sándor,Vastag, Mónika,Sánta, Zsuzsanna,Dékány, Miklós,Lévay, Gy?rgy I.,Greiner, István,Natsumi, Minami,Tatsuya, Watanabe,Keseru, Gy?rgy M.

, p. 234 - 246 (2019/01/15)

Metabotropic glutamate receptor 2 (mGluR2) positive allosteric modulators (PAMs) have been implicated as potential pharmacotherapy for psychiatric conditions. Screening our corporate compound deck, we identified a benzotriazole fragment (4) that was rapidly optimized to a potent and metabolically stable early lead (16). The highly lipophilic character of 16, together with its limited solubility, permeability, and high protein binding, however, did not allow reaching of the proof of concept in vivo. Since further attempts on the optimization of druglike properties were unsuccessful, the original hit 4 has been revisited and was optimized following the principles of fragment based drug discovery (FBDD). Lacking structural information on the receptor-ligand complex, we implemented a group efficiency (GE) based strategy and identified a new fragment like lead (60) with more balanced profile. Significant improvement achieved on the druglike properties nominated the compound for in vivo proof of concept studies that revealed the chemotype being a promising PAM lead targeting mGluR2 receptors.

METALLO-BETA-LACTAMASE INHIBITORS

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Page/Page column 78, (2017/04/04)

The present invention relates to compounds of formula I that are metallo-β-lactamase inhibitors, the synthesis of such compounds, and the use of such compounds for use with β-lactam antibiotics for overcoming resistance.

Design and Synthesis of a Novel Series of Bicyclic Heterocycles As Potent γ-Secretase Modulators

Bischoff, Francois,Berthelot, Didier,De Cleyn, Michel,MacDonald, Gregor,Minne, Garrett,Oehlrich, Daniel,Pieters, Serge,Surkyn, Michel,Trabanco, Andres A.,Tresadern, Gary,Van Brandt, Sven,Velter, Ingrid,Zaja, Mirko,Borghys, Herman,Masungi, Chantal,Mercken, Marc,Gijsen, Harrie J. M.

, p. 9089 - 9106,18 (2020/10/15)

The design and the synthesis of several chemical subclasses of imidazole containing γ-secretase modulators (GSMs) is described. Conformational restriction of pyridone 4 into bicyclic pyridone isosteres has led to compounds with high in vitro and in vivo p

NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS

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Page/Page column 67, (2010/08/18)

The present invention is concerned with substituted bicyclic heterocyclic compounds of Formula (I) wherein Het1, Het2, A1, A2, A3 and A4 have the meaning defined in the claims. The compounds according to the present invention are useful as gamma secretase modulators. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.

NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS

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Page/Page column 64, (2010/09/17)

The present invention is concerned with novel substituted benzoxazole, benzimidazole, oxazolopyridine and imidazopyridine derivatives of Formula (I) wherein R1, R2, R3, R4, X, A1, A2, A3, A4, Y1, Y2, Y3 and Z have the meaning defined in the claims. The compounds according to the present invention are useful as gamma secretase modulators. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.

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